(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone

C15H17ClN2O2 — CID 115810975

IUPAC(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C15H17ClN2O2/c1-4-7-18-14(13(20-3)9-17-18)15(19)12-8-11(16)6-5-10(12)2/h5-6,8-9H,4,7H2,1-3H3
InChIKeyZCDGFCFWEDUTFU-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.49
Rot. Bonds5

About (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone

(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 115810975) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID115810975
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C15H17ClN2O2/c1-4-7-18-14(13(20-3)9-17-18)15(19)12-8-11(16)6-5-10(12)2/h5-6,8-9H,4,7H2,1-3H3
InChIKeyZCDGFCFWEDUTFU-UHFFFAOYSA-N
XLogP3.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
(3,5-dimethyl-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114642302
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(2-amino-4-bromophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114670253
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 115810975) is (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)c1cc(Cl)ccc1C.
What is the InChIKey of (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is ZCDGFCFWEDUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-4-7-18-14(13(20-3)9-17-18)15(19)12-8-11(16)6-5-10(12)2/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 292.77 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 115810975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).